SpectraBase Compound ID | 4fv2MKLTTqA |
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InChI | InChI=1S/C10H7IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,1H3 |
InChIKey | MQBHSZHCODAMGN-UHFFFAOYSA-N |
Mol Weight | 270.07 g/mol |
Molecular Formula | C10H7IO |
Exact Mass | 269.95416 g/mol |
SpectraBase Spectrum ID | Bnwzlj3cPuJ |
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Name | 4-(4-Iodophenyl)but-3-yn-2-one |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 269.954159844 u |
Formula | C10H7IO |
InChI | InChI=1S/C10H7IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,1H3 |
InChIKey | MQBHSZHCODAMGN-UHFFFAOYSA-N |
Molecular Weight | 270.069 g/mol |
SMILES | C(#CC1=CC=C(C=C1)I)C(=O)C |